3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol

C9H8ClF4NO — CID 63901070

IUPAC3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ccc(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C9H8ClF4NO/c10-5-1-2-7(6(11)3-5)15-4-8(16)9(12,13)14/h1-3,8,15-16H,4H2
InChIKeyUKKHDKVEWLYWHL-UHFFFAOYSA-N
MW257.61 g/mol
LogP2.81
Rot. Bonds3

About 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol

3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901070) has the molecular formula C9H8ClF4NO and a molecular weight of 257.61 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol
PubChem CID63901070
Molecular FormulaC9H8ClF4NO
Molecular Weight257.61 g/mol
Exact Mass257.02
IUPAC Name3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ccc(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C9H8ClF4NO/c10-5-1-2-7(6(11)3-5)15-4-8(16)9(12,13)14/h1-3,8,15-16H,4H2
InChIKeyUKKHDKVEWLYWHL-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.61
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 126846999
4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
CID 126847001
3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
CID 61472351
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
4-[(3-chloro-2-hydroxypropyl)amino]-3-fluorophenol
CID 168636307
2-[(2,4-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103366905
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275
2-fluoro-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzonitrile
CID 63899643
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol (CID 63901070) is 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol is OC(CNc1ccc(Cl)cc1F)C(F)(F)F.
What is the InChIKey of 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is UKKHDKVEWLYWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4NO/c10-5-1-2-7(6(11)3-5)15-4-8(16)9(12,13)14/h1-3,8,15-16H,4H2.
What are the key properties of 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol?
3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 257.61 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).