1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol

C14H17ClF2O2 — CID 162262584

IUPAC1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)c1ccc(Cl)c(OC2CCCC2)c1
InChIInChI=1S/C14H17ClF2O2/c1-9(18)14(16,17)10-6-7-12(15)13(8-10)19-11-4-2-3-5-11/h6-9,11,18H,2-5H2,1H3
InChIKeyVSNICUKDDMKQBV-UHFFFAOYSA-N
MW290.74 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol

1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol (PubChem CID 162262584) has the molecular formula C14H17ClF2O2 and a molecular weight of 290.74 g/mol. Its IUPAC name is 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol
PubChem CID162262584
Molecular FormulaC14H17ClF2O2
Molecular Weight290.74 g/mol
Exact Mass290.09
IUPAC Name1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol
SMILESCC(O)C(F)(F)c1ccc(Cl)c(OC2CCCC2)c1
InChIInChI=1S/C14H17ClF2O2/c1-9(18)14(16,17)10-6-7-12(15)13(8-10)19-11-4-2-3-5-11/h6-9,11,18H,2-5H2,1H3
InChIKeyVSNICUKDDMKQBV-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol (CID 162262584) is 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol is CC(O)C(F)(F)c1ccc(Cl)c(OC2CCCC2)c1.
What is the InChIKey of 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol?
The InChIKey is VSNICUKDDMKQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2O2/c1-9(18)14(16,17)10-6-7-12(15)13(8-10)19-11-4-2-3-5-11/h6-9,11,18H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol?
1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol has a molecular weight of 290.74 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 162262584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).