cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol

C7H12F2O — CID 170076182

IUPACcis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol
SMILESCC[C@H]1CC(F)(F)C[C@@H]1O
InChIInChI=1S/C7H12F2O/c1-2-5-3-7(8,9)4-6(5)10/h5-6,10H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyYIQKHFHXVKKVCS-WDSKDSINSA-N
MW150.17 g/mol
LogP1.80
Rot. Bonds1

About cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol

cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol (PubChem CID 170076182) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol
PubChem CID170076182
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Namecis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol
SMILESCC[C@H]1CC(F)(F)C[C@@H]1O
InChIInChI=1S/C7H12F2O/c1-2-5-3-7(8,9)4-6(5)10/h5-6,10H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyYIQKHFHXVKKVCS-WDSKDSINSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentanol, 2-ethyl-
CID 317459
1-Cyclopentyl-2,2,2-trifluoroethan-1-ol
CID 62070207
3-(Trifluoromethyl)cyclopentan-1-ol
CID 84020902
rac-[(1R,2R)-2-(trifluoromethyl)cyclopentyl]methanol
CID 137952372
2-(2,2-Difluorocyclopentyl)ethan-1-ol
CID 84020823
2-(1-Hydroxyethyl)cyclopentanol
CID 274431
3-Trifluoromethyl-1-heptanol
CID 14533169
(2R)-1,1,1-trifluoro-4-propylheptan-2-ol
CID 18396351
(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol
CID 18396352
1,1,1-Trifluoro-4-propylheptan-2-ol
CID 19598542
5-Ethyl-1,1,1-trifluoroheptan-2-ol
CID 19598544
5-Ethyl-1,2,2,4,4-pentafluorocyclopentan-1-ol
CID 20760670

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol (CID 170076182) is cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol is CC[C@H]1CC(F)(F)C[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol?
The InChIKey is YIQKHFHXVKKVCS-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12F2O/c1-2-5-3-7(8,9)4-6(5)10/h5-6,10H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol?
cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-ethyl-4,4-difluorocyclopentan-1-ol is sourced from PubChem (CID 170076182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).