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

C10H8ClF8N — CID 171249850

IUPAC(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)F
InChIInChI=1S/C10H7F8N.ClH/c11-8(12)7(19)5-2-1-4(9(13,14)15)3-6(5)10(16,17)18;/h1-3,7-8H,19H2;1H/t7-;/m0./s1
InChIKeyMIHQLHIJXDNBCK-FJXQXJEOSA-N
MW329.62 g/mol
LogP4.41
Rot. Bonds2

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

(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride (PubChem CID 171249850) has the molecular formula C10H8ClF8N and a molecular weight of 329.62 g/mol. Its IUPAC name is (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
PubChem CID171249850
Molecular FormulaC10H8ClF8N
Molecular Weight329.62 g/mol
Exact Mass329.02
IUPAC Name(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)F
InChIInChI=1S/C10H7F8N.ClH/c11-8(12)7(19)5-2-1-4(9(13,14)15)3-6(5)10(16,17)18;/h1-3,7-8H,19H2;1H/t7-;/m0./s1
InChIKeyMIHQLHIJXDNBCK-FJXQXJEOSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171229824
(1R,2S)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171264197
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171210265
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131543112
(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242848
(1S,2R)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-5-methylhexan-2-ol;hydrochloride
CID 171269885
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]but-3-en-1-amine;hydrochloride
CID 171210234
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171210222

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride (CID 171249850) is (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride is Cl.N[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)F.
What is the InChIKey of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride?
The InChIKey is MIHQLHIJXDNBCK-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H7F8N.ClH/c11-8(12)7(19)5-2-1-4(9(13,14)15)3-6(5)10(16,17)18;/h1-3,7-8H,19H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride?
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride has a molecular weight of 329.62 g/mol, XLogP of 4.41, 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]-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 171249850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).