(2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine

C10H11F2N3 — CID 161290891

IUPAC(2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
SMILESC=C(C)Nc1n[nH]c2c1[C@H]1C[C@H]1C2(F)F
InChIInChI=1S/C10H11F2N3/c1-4(2)13-9-7-5-3-6(5)10(11,12)8(7)14-15-9/h5-6H,1,3H2,2H3,(H2,13,14,15)/t5-,6+/m0/s1
InChIKeyVZTHLFBKDQUWCQ-NTSWFWBYSA-N
MW211.21 g/mol
LogP2.56
Rot. Bonds2

About (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine

(2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine (PubChem CID 161290891) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine.

Molecular Properties

Compound Name(2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
PubChem CID161290891
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name(2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
SMILESC=C(C)Nc1n[nH]c2c1[C@H]1C[C@H]1C2(F)F
InChIInChI=1S/C10H11F2N3/c1-4(2)13-9-7-5-3-6(5)10(11,12)8(7)14-15-9/h5-6H,1,3H2,2H3,(H2,13,14,15)/t5-,6+/m0/s1
InChIKeyVZTHLFBKDQUWCQ-NTSWFWBYSA-N
XLogP2.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]acetamide
CID 90385280
(2S)-5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 90385296
methyl N-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]carbamate
CID 90385303
methyl N-[(2S)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]carbamate
CID 90385799
(2S,4R)-5,5-difluoro-N,N-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 90385810
N-[(2S)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]acetamide
CID 117635314
(4S,5R)-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-amine
CID 117637984
(2S,4R)-7-tert-butyl-5,5-difluoro-N-(1-methoxyethenyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 118967298
(2S,4R)-7-tert-butyl-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 118967300
(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 118967307
(4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 134443749
(5R)-6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
CID 135267007

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
The IUPAC name of (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine (CID 161290891) is (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine.
What is the SMILES notation for (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
The canonical SMILES for (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine is C=C(C)Nc1n[nH]c2c1[C@H]1C[C@H]1C2(F)F.
What is the InChIKey of (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
The InChIKey is VZTHLFBKDQUWCQ-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-4(2)13-9-7-5-3-6(5)10(11,12)8(7)14-15-9/h5-6H,1,3H2,2H3,(H2,13,14,15)/t5-,6+/m0/s1.
What are the key properties of (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
(2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine has a molecular weight of 211.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5,5-difluoro-N-prop-1-en-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine is sourced from PubChem (CID 161290891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).