3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol

C12H14ClFO2 — CID 116871701

IUPAC3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol
SMILESOCCCC1(c2ccc(F)c(Cl)c2)COC1
InChIInChI=1S/C12H14ClFO2/c13-10-6-9(2-3-11(10)14)12(4-1-5-15)7-16-8-12/h2-3,6,15H,1,4-5,7-8H2
InChIKeyKDLAEEVLFDRAMY-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.52
Rot. Bonds4

About 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol

3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol (PubChem CID 116871701) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol
PubChem CID116871701
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol
SMILESOCCCC1(c2ccc(F)c(Cl)c2)COC1
InChIInChI=1S/C12H14ClFO2/c13-10-6-9(2-3-11(10)14)12(4-1-5-15)7-16-8-12/h2-3,6,15H,1,4-5,7-8H2
InChIKeyKDLAEEVLFDRAMY-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-ethoxy-3-fluorophenyl)oxetan-3-yl]propan-1-ol
CID 116871682
1-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]-2-methylpropan-2-amine
CID 116869998
5-[3-(3-hydroxypropyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116871718
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
CID 116930381
3-[3-(3,4-difluorophenyl)oxetan-3-yl]propanenitrile
CID 116873358
3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
CID 11119744
2-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]butanenitrile
CID 116875515
2-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873657
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol (CID 116871701) is 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol is OCCCC1(c2ccc(F)c(Cl)c2)COC1.
What is the InChIKey of 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol?
The InChIKey is KDLAEEVLFDRAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-10-6-9(2-3-11(10)14)12(4-1-5-15)7-16-8-12/h2-3,6,15H,1,4-5,7-8H2.
What are the key properties of 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol?
3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol has a molecular weight of 244.69 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol is sourced from PubChem (CID 116871701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).