(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

C10H11F4NO — CID 171227277

IUPAC(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESN[C@@H](CCF)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H11F4NO/c11-6-5-9(15)7-1-3-8(4-2-7)16-10(12,13)14/h1-4,9H,5-6,15H2/t9-/m0/s1
InChIKeyRVUSFNTVIRPGPG-VIFPVBQESA-N
MW237.20 g/mol
LogP2.94
Rot. Bonds4

About (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 171227277) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID171227277
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESN[C@@H](CCF)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H11F4NO/c11-6-5-9(15)7-1-3-8(4-2-7)16-10(12,13)14/h1-4,9H,5-6,15H2/t9-/m0/s1
InChIKeyRVUSFNTVIRPGPG-VIFPVBQESA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)-3-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171228261
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749
(1S)-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171227266
methyl 5-amino-5-[4-(trifluoromethoxy)phenyl]pentanoate
CID 60861488
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (CID 171227277) is (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is N[C@@H](CCF)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is RVUSFNTVIRPGPG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11F4NO/c11-6-5-9(15)7-1-3-8(4-2-7)16-10(12,13)14/h1-4,9H,5-6,15H2/t9-/m0/s1.
What are the key properties of (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 237.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 171227277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).