(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol

C12H14F2O2 — CID 116710430

IUPAC(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)c2cc(F)cc(F)c2)CCC1
InChIInChI=1S/C12H14F2O2/c1-16-12(3-2-4-12)11(15)8-5-9(13)7-10(14)6-8/h5-7,11,15H,2-4H2,1H3
InChIKeyLFILALLPMPQUIV-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.57
Rot. Bonds3

About (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol

(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol (PubChem CID 116710430) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
PubChem CID116710430
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)c2cc(F)cc(F)c2)CCC1
InChIInChI=1S/C12H14F2O2/c1-16-12(3-2-4-12)11(15)8-5-9(13)7-10(14)6-8/h5-7,11,15H,2-4H2,1H3
InChIKeyLFILALLPMPQUIV-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
(5-fluoro-3-pyridinyl)-(1-methoxycyclopentyl)methanol
CID 104610410
(1-ethoxycyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 116753671
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 116710441
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
CID 116753501
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol (CID 116710430) is (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol is COC1(C(O)c2cc(F)cc(F)c2)CCC1.
What is the InChIKey of (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol?
The InChIKey is LFILALLPMPQUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-16-12(3-2-4-12)11(15)8-5-9(13)7-10(14)6-8/h5-7,11,15H,2-4H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol?
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol has a molecular weight of 228.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol is sourced from PubChem (CID 116710430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).