(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine

C7H7ClF2N2 — CID 131150469

IUPAC(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
SMILESN[C@H](c1ccncc1Cl)C(F)F
InChIInChI=1S/C7H7ClF2N2/c8-5-3-12-2-1-4(5)6(11)7(9)10/h1-3,6-7H,11H2/t6-/m1/s1
InChIKeyZPNXEZUFFZVWAS-ZCFIWIBFSA-N
MW192.60 g/mol
LogP2.00
Rot. Bonds2

About (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine

(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine (PubChem CID 131150469) has the molecular formula C7H7ClF2N2 and a molecular weight of 192.60 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
PubChem CID131150469
Molecular FormulaC7H7ClF2N2
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
SMILESN[C@H](c1ccncc1Cl)C(F)F
InChIInChI=1S/C7H7ClF2N2/c8-5-3-12-2-1-4(5)6(11)7(9)10/h1-3,6-7H,11H2/t6-/m1/s1
InChIKeyZPNXEZUFFZVWAS-ZCFIWIBFSA-N
XLogP2.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063
methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
CID 130613043
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
CID 171218361

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine?
The IUPAC name of (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine (CID 131150469) is (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine.
What is the SMILES notation for (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine?
The canonical SMILES for (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine is N[C@H](c1ccncc1Cl)C(F)F.
What is the InChIKey of (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine?
The InChIKey is ZPNXEZUFFZVWAS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7ClF2N2/c8-5-3-12-2-1-4(5)6(11)7(9)10/h1-3,6-7H,11H2/t6-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine?
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine has a molecular weight of 192.60 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine is sourced from PubChem (CID 131150469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).