(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride

C10H11ClF5NO — CID 171313749

IUPAC(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F5NO.ClH/c11-9(12)5-8(16)6-1-3-7(4-2-6)17-10(13,14)15;/h1-4,8-9H,5,16H2;1H/t8-;/m1./s1
InChIKeyNTAVZRPKYNHKPK-DDWIOCJRSA-N
MW291.65 g/mol
LogP3.66
Rot. Bonds4

About (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride

(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride (PubChem CID 171313749) has the molecular formula C10H11ClF5NO and a molecular weight of 291.65 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
PubChem CID171313749
Molecular FormulaC10H11ClF5NO
Molecular Weight291.65 g/mol
Exact Mass291.04
IUPAC Name(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F5NO.ClH/c11-9(12)5-8(16)6-1-3-7(4-2-6)17-10(13,14)15;/h1-4,8-9H,5,16H2;1H/t8-;/m1./s1
InChIKeyNTAVZRPKYNHKPK-DDWIOCJRSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.65
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(1S)-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171227266
(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171228229

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride (CID 171313749) is (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
The InChIKey is NTAVZRPKYNHKPK-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10F5NO.ClH/c11-9(12)5-8(16)6-1-3-7(4-2-6)17-10(13,14)15;/h1-4,8-9H,5,16H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride?
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride has a molecular weight of 291.65 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 171313749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).