(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride

C8H9Cl2F2N — CID 121438908

IUPAC(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C8H8ClF2N.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H/t7-;/m0./s1
InChIKeyBAMMPMBLOBLIOU-FJXQXJEOSA-N
MW228.07 g/mol
LogP3.03
Rot. Bonds2

About (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride

(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 121438908) has the molecular formula C8H9Cl2F2N and a molecular weight of 228.07 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID121438908
Molecular FormulaC8H9Cl2F2N
Molecular Weight228.07 g/mol
Exact Mass227.01
IUPAC Name(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C8H8ClF2N.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H/t7-;/m0./s1
InChIKeyBAMMPMBLOBLIOU-FJXQXJEOSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247214
azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride
CID 175581102
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1S)-1-(4-tert-butylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171246982
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
(4-chlorophenyl)-fluoromethanol
CID 174952192
1-(4-chlorophenyl)-2-(4-ethynylphenyl)ethane-1,2-diamine
CID 22996221

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride (CID 121438908) is (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is BAMMPMBLOBLIOU-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8ClF2N.ClH/c9-6-3-1-5(2-4-6)7(12)8(10)11;/h1-4,7-8H,12H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride?
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 228.07 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 121438908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).