2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol

C14H17ClF3NO — CID 60900430

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H17ClF3NO/c15-11-7-6-9(8-10(11)14(16,17)18)19-12-4-2-1-3-5-13(12)20/h6-8,12-13,19-20H,1-5H2
InChIKeyAHVSVKRIHLXEKJ-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.46
Rot. Bonds2

About 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol

2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol (PubChem CID 60900430) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
PubChem CID60900430
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H17ClF3NO/c15-11-7-6-9(8-10(11)14(16,17)18)19-12-4-2-1-3-5-13(12)20/h6-8,12-13,19-20H,1-5H2
InChIKeyAHVSVKRIHLXEKJ-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol (CID 60900430) is 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol is OC1CCCCCC1Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol?
The InChIKey is AHVSVKRIHLXEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c15-11-7-6-9(8-10(11)14(16,17)18)19-12-4-2-1-3-5-13(12)20/h6-8,12-13,19-20H,1-5H2.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol?
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol has a molecular weight of 307.74 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol is sourced from PubChem (CID 60900430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).