3-cycloheptyl-2,2-difluoropropan-1-ol

C10H18F2O — CID 105446100

IUPAC3-cycloheptyl-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CC1CCCCCC1
InChIInChI=1S/C10H18F2O/c11-10(12,8-13)7-9-5-3-1-2-4-6-9/h9,13H,1-8H2
InChIKeyYXMYSTMTKOWRSH-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.97
Rot. Bonds3

About 3-cycloheptyl-2,2-difluoropropan-1-ol

3-cycloheptyl-2,2-difluoropropan-1-ol (PubChem CID 105446100) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-cycloheptyl-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-cycloheptyl-2,2-difluoropropan-1-ol
PubChem CID105446100
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name3-cycloheptyl-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CC1CCCCCC1
InChIInChI=1S/C10H18F2O/c11-10(12,8-13)7-9-5-3-1-2-4-6-9/h9,13H,1-8H2
InChIKeyYXMYSTMTKOWRSH-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-3-(oxan-3-yl)propan-1-ol
CID 105438580
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
cyclohexanamine;2,2,2-trifluoroethanol
CID 173402481
2,2-difluorononadecylcycloundecane
CID 90054056
2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol
CID 122239851
2-(aminomethyl)-2-(cyclohexylmethyl)-3-cyclopropylpropan-1-ol
CID 106506751
3-(cycloheptylamino)-2,2-difluoropropan-1-ol
CID 104857454
2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115044604
2,2-difluoro-3-(thiolan-2-yl)propan-1-ol
CID 105440135
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
2-(cyclopentylmethyl)-2-ethylbutan-1-ol
CID 66058711
2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
CID 79449950

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-2,2-difluoropropan-1-ol?
The IUPAC name of 3-cycloheptyl-2,2-difluoropropan-1-ol (CID 105446100) is 3-cycloheptyl-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-cycloheptyl-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-cycloheptyl-2,2-difluoropropan-1-ol is OCC(F)(F)CC1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-2,2-difluoropropan-1-ol?
The InChIKey is YXMYSTMTKOWRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c11-10(12,8-13)7-9-5-3-1-2-4-6-9/h9,13H,1-8H2.
What are the key properties of 3-cycloheptyl-2,2-difluoropropan-1-ol?
3-cycloheptyl-2,2-difluoropropan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-2,2-difluoropropan-1-ol is sourced from PubChem (CID 105446100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).