(1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol

C6H10F2O — CID 129462674

IUPAC(1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol
SMILESC[C@H](O)C1(C(F)F)CC1
InChIInChI=1S/C6H10F2O/c1-4(9)6(2-3-6)5(7)8/h4-5,9H,2-3H2,1H3/t4-/m0/s1
InChIKeyKMBZRKBMXOOBOF-BYPYZUCNSA-N
MW136.14 g/mol
LogP1.41
Rot. Bonds2

About (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol

(1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol (PubChem CID 129462674) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol
PubChem CID129462674
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name(1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol
SMILESC[C@H](O)C1(C(F)F)CC1
InChIInChI=1S/C6H10F2O/c1-4(9)6(2-3-6)5(7)8/h4-5,9H,2-3H2,1H3/t4-/m0/s1
InChIKeyKMBZRKBMXOOBOF-BYPYZUCNSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol (CID 129462674) is (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol is C[C@H](O)C1(C(F)F)CC1.
What is the InChIKey of (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol?
The InChIKey is KMBZRKBMXOOBOF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4(9)6(2-3-6)5(7)8/h4-5,9H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol?
(1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol has a molecular weight of 136.14 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(difluoromethyl)cyclopropyl]ethanol is sourced from PubChem (CID 129462674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).