4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile

C10H10F2N2 — CID 131626102

IUPAC4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile
SMILESN#Cc1ccc([C@H](N)CC(F)F)cc1
InChIInChI=1S/C10H10F2N2/c11-10(12)5-9(14)8-3-1-7(6-13)2-4-8/h1-4,9-10H,5,14H2/t9-/m1/s1
InChIKeyMKBSRSRVBXRRGF-SECBINFHSA-N
MW196.20 g/mol
LogP2.21
Rot. Bonds3

About 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile

4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile (PubChem CID 131626102) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile
PubChem CID131626102
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile
SMILESN#Cc1ccc([C@H](N)CC(F)F)cc1
InChIInChI=1S/C10H10F2N2/c11-10(12)5-9(14)8-3-1-7(6-13)2-4-8/h1-4,9-10H,5,14H2/t9-/m1/s1
InChIKeyMKBSRSRVBXRRGF-SECBINFHSA-N
XLogP2.21
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-3-fluoropropyl]benzonitrile;hydrochloride
CID 171217694
4-(1-amino-3,3,3-trifluoropropyl)benzonitrile
CID 122174182
4-[(1S)-1-amino-3,3,3-trifluoropropyl]benzonitrile
CID 124518543
4-(1-amino-2,2-difluoroethyl)benzonitrile
CID 130062082
(1S)-3,3-difluoro-1-(4-methylphenyl)propan-1-amine
CID 131389625
4-(1-amino-2-trimethylsilylethyl)benzonitrile
CID 67325387
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
4-[(1S)-1,4-diaminobutyl]benzonitrile;hydrochloride
CID 171217680
(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460
4-[(1S)-1-amino-3-methylbut-3-enyl]benzonitrile
CID 130817356
4-(1-aminoethyl)benzonitrile
CID 11544790
(1S)-3,3-difluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171312805

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile?
The IUPAC name of 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile (CID 131626102) is 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile?
The canonical SMILES for 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile is N#Cc1ccc([C@H](N)CC(F)F)cc1.
What is the InChIKey of 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile?
The InChIKey is MKBSRSRVBXRRGF-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-10(12)5-9(14)8-3-1-7(6-13)2-4-8/h1-4,9-10H,5,14H2/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile?
4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile has a molecular weight of 196.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3,3-difluoropropyl]benzonitrile is sourced from PubChem (CID 131626102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).