(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine

C13H21F2N — CID 164973244

IUPAC(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1[C@H]2CC(F)(F)C[C@@H]12
InChIInChI=1S/C13H21F2N/c1-7(2)8(3)16-9(4)12-10-5-13(14,15)6-11(10)12/h7-8,10-12,16H,4-6H2,1-3H3/t8-,10-,11+,12?/m1/s1
InChIKeyPZODWYOAQQVQGD-QDEIUJJKSA-N
MW229.31 g/mol
LogP3.43
Rot. Bonds4

About (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine

(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine (PubChem CID 164973244) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine
PubChem CID164973244
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1[C@H]2CC(F)(F)C[C@@H]12
InChIInChI=1S/C13H21F2N/c1-7(2)8(3)16-9(4)12-10-5-13(14,15)6-11(10)12/h7-8,10-12,16H,4-6H2,1-3H3/t8-,10-,11+,12?/m1/s1
InChIKeyPZODWYOAQQVQGD-QDEIUJJKSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine with MolForge

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Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
CID 155730429
N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
CID 174325971
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine
CID 143350928
N-(3-cyclopentylprop-1-en-2-yl)-4-fluoro-2,4-dimethylpent-1-en-3-amine
CID 143786509
3,3-difluoro-N-[3-(3-methyl-5-methylidenecyclohexyl)propyl]but-1-en-2-amine
CID 144692188
N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine
CID 163294986
(2R)-N-[1-(4,4-difluorocyclohexyl)ethenyl]-3-methylbutan-2-amine
CID 165088400
N-(1-cyclohexylethenyl)cyclopropanamine
CID 89308023

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine (CID 164973244) is (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine is C=C(N[C@H](C)C(C)C)C1[C@H]2CC(F)(F)C[C@@H]12.
What is the InChIKey of (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine?
The InChIKey is PZODWYOAQQVQGD-QDEIUJJKSA-N. The full InChI is InChI=1S/C13H21F2N/c1-7(2)8(3)16-9(4)12-10-5-13(14,15)6-11(10)12/h7-8,10-12,16H,4-6H2,1-3H3/t8-,10-,11+,12?/m1/s1.
What are the key properties of (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine?
(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine is sourced from PubChem (CID 164973244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).