(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine

C7H12F2N2 — CID 134438278

IUPAC(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
SMILESN[C@H]1CC2C(C[C@@H]1N)C2(F)F
InChIInChI=1S/C7H12F2N2/c8-7(9)3-1-5(10)6(11)2-4(3)7/h3-6H,1-2,10-11H2/t3?,4?,5-,6-/m0/s1
InChIKeyNWAMXDHPAXHHKT-ULOPGSAPSA-N
MW162.18 g/mol
LogP0.32
Rot. Bonds

About (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine

(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine (PubChem CID 134438278) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine.

Molecular Properties

Compound Name(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
PubChem CID134438278
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
SMILESN[C@H]1CC2C(C[C@@H]1N)C2(F)F
InChIInChI=1S/C7H12F2N2/c8-7(9)3-1-5(10)6(11)2-4(3)7/h3-6H,1-2,10-11H2/t3?,4?,5-,6-/m0/s1
InChIKeyNWAMXDHPAXHHKT-ULOPGSAPSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
CID 21301277
4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
CID 130054075
3-bromo-6,6-difluorobicyclo[3.1.0]hexane
CID 130115031
7,7-difluorobicyclo[2.2.1]heptan-2-amine
CID 71758529
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
CID 164655478
6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde
CID 23532969
(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 98088562
2-fluorocyclopropan-1-amine
CID 10197614
2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride
CID 167742178
9,9-difluorobicyclo[6.1.0]nonane
CID 12610907
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833
2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 157031019

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine?
The IUPAC name of (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine (CID 134438278) is (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine.
What is the SMILES notation for (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine?
The canonical SMILES for (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine is N[C@H]1CC2C(C[C@@H]1N)C2(F)F.
What is the InChIKey of (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine?
The InChIKey is NWAMXDHPAXHHKT-ULOPGSAPSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)3-1-5(10)6(11)2-4(3)7/h3-6H,1-2,10-11H2/t3?,4?,5-,6-/m0/s1.
What are the key properties of (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine?
(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine has a molecular weight of 162.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine is sourced from PubChem (CID 134438278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).