3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol

C10H17F2NO — CID 130487410

IUPAC3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol
SMILESOC1(CC2CCCC(F)(F)C2)CNC1
InChIInChI=1S/C10H17F2NO/c11-10(12)3-1-2-8(5-10)4-9(14)6-13-7-9/h8,13-14H,1-7H2
InChIKeyJWPPGMQJFUWSAY-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.54
Rot. Bonds2

About 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol

3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol (PubChem CID 130487410) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol
PubChem CID130487410
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol
SMILESOC1(CC2CCCC(F)(F)C2)CNC1
InChIInChI=1S/C10H17F2NO/c11-10(12)3-1-2-8(5-10)4-9(14)6-13-7-9/h8,13-14H,1-7H2
InChIKeyJWPPGMQJFUWSAY-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-ol
CID 114224437
1-[(3,3-difluorocyclohexyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 114224493
3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine
CID 130487658
1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 114224490
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-[(3,3-difluorocyclohexyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114225403
3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
CID 170912508
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
3-(2-cyclopentylethyl)azetidin-3-ol
CID 126973784
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
1-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 114224505
[(1S)-3,3-difluorocyclohexyl]methanesulfonyl chloride
CID 124709989

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol?
The IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol (CID 130487410) is 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol.
What is the SMILES notation for 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol?
The canonical SMILES for 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol is OC1(CC2CCCC(F)(F)C2)CNC1.
What is the InChIKey of 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol?
The InChIKey is JWPPGMQJFUWSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)3-1-2-8(5-10)4-9(14)6-13-7-9/h8,13-14H,1-7H2.
What are the key properties of 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol?
3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol has a molecular weight of 205.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol is sourced from PubChem (CID 130487410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).