3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane

C12H20FN — CID 174259994

IUPAC3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESC=C(CC(C)F)N1CC2C(C1)C2(C)C
InChIInChI=1S/C12H20FN/c1-8(13)5-9(2)14-6-10-11(7-14)12(10,3)4/h8,10-11H,2,5-7H2,1,3-4H3
InChIKeyNQKXXKYHNSRNDT-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.84
Rot. Bonds3

About 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane

3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 174259994) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID174259994
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESC=C(CC(C)F)N1CC2C(C1)C2(C)C
InChIInChI=1S/C12H20FN/c1-8(13)5-9(2)14-6-10-11(7-14)12(10,3)4/h8,10-11H,2,5-7H2,1,3-4H3
InChIKeyNQKXXKYHNSRNDT-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117878250
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CID 117878251
4-Propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine
CID 122630884
1,3,4-Trimethyl-2-methylidene-4-propan-2-ylpyrrolidine
CID 21336443
4-Tert-butyl-1-(1-cyclopropylethenyl)piperidine
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1,3-Ditert-butyl-2-methylidenepyrrolidine
CID 59096683
2,8-Dimethyl-3-methylidene-2,8-diazaspiro[4.5]decane
CID 59187062
5-Tert-butyl-1-methyl-2-methylidenepiperidine
CID 59549202
1,4-Ditert-butyl-2-methylidenepyrrolidine
CID 89639159
1,4-Ditert-butyl-2-methylidenepiperidine
CID 90134432
4-Tert-butyl-1-methyl-2-methylidenepiperidine
CID 118424445
3-Methyl-1-[1-(1-methylcyclopropyl)ethenyl]-4-propylpyrrolidine
CID 122692031

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane (CID 174259994) is 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane is C=C(CC(C)F)N1CC2C(C1)C2(C)C.
What is the InChIKey of 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is NQKXXKYHNSRNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-8(13)5-9(2)14-6-10-11(7-14)12(10,3)4/h8,10-11H,2,5-7H2,1,3-4H3.
What are the key properties of 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 197.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 174259994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).