[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol

C9H10F3NO — CID 66510878

IUPAC[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
SMILESN[C@@H](c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(13)7-3-1-6(5-14)2-4-7/h1-4,8,14H,5,13H2/t8-/m0/s1
InChIKeyCMOQMPIZCXGDDR-QMMMGPOBSA-N
MW205.18 g/mol
LogP1.74
Rot. Bonds2

About [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol

[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol (PubChem CID 66510878) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
PubChem CID66510878
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
SMILESN[C@@H](c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(13)7-3-1-6(5-14)2-4-7/h1-4,8,14H,5,13H2/t8-/m0/s1
InChIKeyCMOQMPIZCXGDDR-QMMMGPOBSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine
CID 66512282
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
[4-(hydroxymethyl)phenyl]methanediol
CID 54533756
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
[2-[amino-[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3,3-bis(sulfanyl)propyl] carbamate
CID 175213123
(1S)-1-[4-[(2,5-difluorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanamine
CID 66512563
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol?
The IUPAC name of [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol (CID 66510878) is [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol.
What is the SMILES notation for [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol?
The canonical SMILES for [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol is N[C@@H](c1ccc(CO)cc1)C(F)(F)F.
What is the InChIKey of [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol?
The InChIKey is CMOQMPIZCXGDDR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)8(13)7-3-1-6(5-14)2-4-7/h1-4,8,14H,5,13H2/t8-/m0/s1.
What are the key properties of [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol?
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol has a molecular weight of 205.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol is sourced from PubChem (CID 66510878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).