2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol

C12H13F4NO — CID 107287772

IUPAC2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)(c1ccc(C(F)(F)F)c(F)c1)C1CC1
InChIInChI=1S/C12H13F4NO/c13-10-5-8(3-4-9(10)12(14,15)16)11(18,6-17)7-1-2-7/h3-5,7,18H,1-2,6,17H2
InChIKeyNLKDRWNACRVJCZ-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol

2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 107287772) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
PubChem CID107287772
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)(c1ccc(C(F)(F)F)c(F)c1)C1CC1
InChIInChI=1S/C12H13F4NO/c13-10-5-8(3-4-9(10)12(14,15)16)11(18,6-17)7-1-2-7/h3-5,7,18H,1-2,6,17H2
InChIKeyNLKDRWNACRVJCZ-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
CID 107290047
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol
CID 82115239
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 107290684
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 113338650
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine
CID 112567178
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol (CID 107287772) is 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol is NCC(O)(c1ccc(C(F)(F)F)c(F)c1)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is NLKDRWNACRVJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-10-5-8(3-4-9(10)12(14,15)16)11(18,6-17)7-1-2-7/h3-5,7,18H,1-2,6,17H2.
What are the key properties of 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 263.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 107287772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).