(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride

C10H9ClF7N — CID 171210217

IUPAC(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F7N.ClH/c11-4-8(18)6-2-1-5(9(12,13)14)3-7(6)10(15,16)17;/h1-3,8H,4,18H2;1H/t8-;/m1./s1
InChIKeyWUXSNFVQEZFQGL-DDWIOCJRSA-N
MW311.63 g/mol
LogP4.12
Rot. Bonds2

About (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride

(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride (PubChem CID 171210217) has the molecular formula C10H9ClF7N and a molecular weight of 311.63 g/mol. Its IUPAC name is (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
PubChem CID171210217
Molecular FormulaC10H9ClF7N
Molecular Weight311.63 g/mol
Exact Mass311.03
IUPAC Name(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@H](CF)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F7N.ClH/c11-4-8(18)6-2-1-5(9(12,13)14)3-7(6)10(15,16)17;/h1-3,8H,4,18H2;1H/t8-;/m1./s1
InChIKeyWUXSNFVQEZFQGL-DDWIOCJRSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2,4-bis(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171229824
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]but-3-en-1-amine;hydrochloride
CID 171210234
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
CID 171249850
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171210222
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide
CID 170875789
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171210265
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
(1S,2R)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-5-methylhexan-2-ol;hydrochloride
CID 171269885
(1S)-1-[2,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228404

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride (CID 171210217) is (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride is Cl.N[C@H](CF)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The InChIKey is WUXSNFVQEZFQGL-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H8F7N.ClH/c11-4-8(18)6-2-1-5(9(12,13)14)3-7(6)10(15,16)17;/h1-3,8H,4,18H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride has a molecular weight of 311.63 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171210217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).