2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol

C14H17ClF3NO — CID 165027098

IUPAC2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol
SMILESC=C(CC(O)(c1ccc(Cl)cc1)C(F)(F)F)NC(C)C
InChIInChI=1S/C14H17ClF3NO/c1-9(2)19-10(3)8-13(20,14(16,17)18)11-4-6-12(15)7-5-11/h4-7,9,19-20H,3,8H2,1-2H3
InChIKeyYCUPKTYUVJHVGM-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol

2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol (PubChem CID 165027098) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol
PubChem CID165027098
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol
SMILESC=C(CC(O)(c1ccc(Cl)cc1)C(F)(F)F)NC(C)C
InChIInChI=1S/C14H17ClF3NO/c1-9(2)19-10(3)8-13(20,14(16,17)18)11-4-6-12(15)7-5-11/h4-7,9,19-20H,3,8H2,1-2H3
InChIKeyYCUPKTYUVJHVGM-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
CID 1487207
(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 97339946
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
4-chloro-N-propan-2-ylbenzamide
CID 24045
(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 95474245
2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol
CID 82040356
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
N-[2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]-3,4-difluorobenzenesulfonamide
CID 166232776
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
CID 14516963

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol (CID 165027098) is 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol is C=C(CC(O)(c1ccc(Cl)cc1)C(F)(F)F)NC(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol?
The InChIKey is YCUPKTYUVJHVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c1-9(2)19-10(3)8-13(20,14(16,17)18)11-4-6-12(15)7-5-11/h4-7,9,19-20H,3,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol?
2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol has a molecular weight of 307.74 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-4-en-2-ol is sourced from PubChem (CID 165027098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).