(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol

C14H19F2NO — CID 175315382

IUPAC(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol
SMILESCC(C)CN1CC(C(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-9(2)6-17-7-11(8-17)14(18)10-3-4-12(15)13(16)5-10/h3-5,9,11,14,18H,6-8H2,1-2H3
InChIKeyMSEODCDFHOLYAO-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.59
Rot. Bonds4

About (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol

(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol (PubChem CID 175315382) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol
PubChem CID175315382
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol
SMILESCC(C)CN1CC(C(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-9(2)6-17-7-11(8-17)14(18)10-3-4-12(15)13(16)5-10/h3-5,9,11,14,18H,6-8H2,1-2H3
InChIKeyMSEODCDFHOLYAO-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylpropyl)azetidin-3-yl]-(2,3,5-trifluorophenyl)methanol
CID 174883723
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691
1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019990
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 66475995
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol (CID 175315382) is (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol is CC(C)CN1CC(C(O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol?
The InChIKey is MSEODCDFHOLYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)6-17-7-11(8-17)14(18)10-3-4-12(15)13(16)5-10/h3-5,9,11,14,18H,6-8H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol?
(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol has a molecular weight of 255.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol is sourced from PubChem (CID 175315382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).