1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol

C6H9BrF2O — CID 107140415

IUPAC1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(C(F)(F)Br)C1
InChIInChI=1S/C6H9BrF2O/c1-4-2-5(10,3-4)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyGINAMDHGKDCBCF-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.14
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol

1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol (PubChem CID 107140415) has the molecular formula C6H9BrF2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol
PubChem CID107140415
Molecular FormulaC6H9BrF2O
Molecular Weight215.04 g/mol
Exact Mass213.98
IUPAC Name1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(C(F)(F)Br)C1
InChIInChI=1S/C6H9BrF2O/c1-4-2-5(10,3-4)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyGINAMDHGKDCBCF-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64737726
1-[bromo(difluoro)methyl]cyclobutan-1-ol
CID 107140237
1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol
CID 164651145
3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
CID 107140270
3-(bromomethyl)-1-(trifluoromethyl)cyclobutan-1-ol
CID 146155869
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461
1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol
CID 158659297
3-bromo-1-(trifluoromethyl)cyclopentan-1-ol
CID 84736355
3-[bromo(difluoro)methyl]thiolan-3-ol
CID 107140244
(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol
CID 118234295
1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane
CID 170740025
3,5-dimethyl-5-(trifluoromethyl)cyclohexene
CID 89133608

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol (CID 107140415) is 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol is CC1CC(O)(C(F)(F)Br)C1.
What is the InChIKey of 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol?
The InChIKey is GINAMDHGKDCBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF2O/c1-4-2-5(10,3-4)6(7,8)9/h4,10H,2-3H2,1H3.
What are the key properties of 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol?
1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol has a molecular weight of 215.04 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 107140415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).