[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine

C10H11F2N — CID 129394187

IUPAC[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine
SMILESNC[C@@H]1[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C10H11F2N/c11-10(12)8(6-13)9(10)7-4-2-1-3-5-7/h1-5,8-9H,6,13H2/t8-,9-/m1/s1
InChIKeyYCXOVPSNSFZFHT-RKDXNWHRSA-N
MW183.20 g/mol
LogP1.99
Rot. Bonds2

About [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine

[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine (PubChem CID 129394187) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine
PubChem CID129394187
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine
SMILESNC[C@@H]1[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C10H11F2N/c11-10(12)8(6-13)9(10)7-4-2-1-3-5-7/h1-5,8-9H,6,13H2/t8-,9-/m1/s1
InChIKeyYCXOVPSNSFZFHT-RKDXNWHRSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanamine
CID 126845028
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
1-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]piperidine-4-sulfonamide
CID 146138540
potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide
CID 155982284
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
1-[(1R,3S)-2,2-difluoro-3-phenylcyclopropyl]-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 136585401
[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanol
CID 126845026
[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol
CID 165456668
[(1R,3R)-2,2-dimethyl-3-(2-phenylphenyl)cyclopropyl]methanamine
CID 178195046
[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
CID 13149947
(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
[(2R,3S)-3-phenyloxiran-2-yl]methanamine
CID 10964671

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine (CID 129394187) is [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine is NC[C@@H]1[C@@H](c2ccccc2)C1(F)F.
What is the InChIKey of [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine?
The InChIKey is YCXOVPSNSFZFHT-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H11F2N/c11-10(12)8(6-13)9(10)7-4-2-1-3-5-7/h1-5,8-9H,6,13H2/t8-,9-/m1/s1.
What are the key properties of [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine?
[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine has a molecular weight of 183.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine is sourced from PubChem (CID 129394187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).