(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol

C10H11F4NO — CID 131356033

IUPAC(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@@H](N)[C@@H](O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H11F4NO/c1-5(15)9(16)7-3-2-6(4-8(7)11)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m1/s1
InChIKeyDPLZDTIIWCRHII-MLUIRONXSA-N
MW237.20 g/mol
LogP2.23
Rot. Bonds2

About (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol

(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 131356033) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID131356033
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@@H](N)[C@@H](O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H11F4NO/c1-5(15)9(16)7-3-2-6(4-8(7)11)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m1/s1
InChIKeyDPLZDTIIWCRHII-MLUIRONXSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263236
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171248868
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methylhexan-2-ol
CID 171263247
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171226937
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171207363
(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171312446
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171263244

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol (CID 131356033) is (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol is C[C@@H](N)[C@@H](O)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is DPLZDTIIWCRHII-MLUIRONXSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-5(15)9(16)7-3-2-6(4-8(7)11)10(12,13)14/h2-5,9,16H,15H2,1H3/t5-,9-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol?
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 237.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 131356033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).