1-cyclopentyl-3,3,3-trifluoropropan-1-ol

C8H13F3O — CID 61392890

IUPAC1-cyclopentyl-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C8H13F3O/c9-8(10,11)5-7(12)6-3-1-2-4-6/h6-7,12H,1-5H2
InChIKeyAVLPENKCUIPZIJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.49
Rot. Bonds2

About 1-cyclopentyl-3,3,3-trifluoropropan-1-ol

1-cyclopentyl-3,3,3-trifluoropropan-1-ol (PubChem CID 61392890) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-cyclopentyl-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-3,3,3-trifluoropropan-1-ol
PubChem CID61392890
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-cyclopentyl-3,3,3-trifluoropropan-1-ol
SMILESOC(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C8H13F3O/c9-8(10,11)5-7(12)6-3-1-2-4-6/h6-7,12H,1-5H2
InChIKeyAVLPENKCUIPZIJ-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 104753734
(1R)-1-cyclopentylpropan-1-ol;sulfane
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1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
(1S,3R)-1-cyclopentylbutane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-cyclopentyl-3,3,3-trifluoropropan-1-ol (CID 61392890) is 1-cyclopentyl-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-cyclopentyl-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-cyclopentyl-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3,3,3-trifluoropropan-1-ol?
The InChIKey is AVLPENKCUIPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c9-8(10,11)5-7(12)6-3-1-2-4-6/h6-7,12H,1-5H2.
What are the key properties of 1-cyclopentyl-3,3,3-trifluoropropan-1-ol?
1-cyclopentyl-3,3,3-trifluoropropan-1-ol has a molecular weight of 182.18 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 61392890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).