2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol

C12H13F3O2 — CID 60880462

IUPAC2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
SMILESOC1CCCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)8-4-6-9(7-5-8)17-11-3-1-2-10(11)16/h4-7,10-11,16H,1-3H2
InChIKeyFBYIDJKAZHTBEB-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.00
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol

2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol (PubChem CID 60880462) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
PubChem CID60880462
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
SMILESOC1CCCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)8-4-6-9(7-5-8)17-11-3-1-2-10(11)16/h4-7,10-11,16H,1-3H2
InChIKeyFBYIDJKAZHTBEB-UHFFFAOYSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 19850274
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1R,2R)-2-[2-nitro-4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 102735560
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
CID 54259316

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol (CID 60880462) is 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol is OC1CCCC1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
The InChIKey is FBYIDJKAZHTBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)8-4-6-9(7-5-8)17-11-3-1-2-10(11)16/h4-7,10-11,16H,1-3H2.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol has a molecular weight of 246.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60880462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).