(3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine

C10H11ClFNO — CID 155128144

IUPAC(3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine
SMILESFc1c(Cl)cccc1C[C@H]1CCON1
InChIInChI=1S/C10H11ClFNO/c11-9-3-1-2-7(10(9)12)6-8-4-5-14-13-8/h1-3,8,13H,4-6H2/t8-/m1/s1
InChIKeyKBFJOVVFUXICIN-MRVPVSSYSA-N
MW215.66 g/mol
LogP2.32
Rot. Bonds2

About (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine

(3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine (PubChem CID 155128144) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine
PubChem CID155128144
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name(3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine
SMILESFc1c(Cl)cccc1C[C@H]1CCON1
InChIInChI=1S/C10H11ClFNO/c11-9-3-1-2-7(10(9)12)6-8-4-5-14-13-8/h1-3,8,13H,4-6H2/t8-/m1/s1
InChIKeyKBFJOVVFUXICIN-MRVPVSSYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(3-chloro-2-methoxyphenyl)methyl]-1,2-oxazolidine
CID 155128148
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
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1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
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1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
2-[(2S)-5-[(3-chloro-2-fluorophenyl)methyl]-3,6-dioxopiperazin-2-yl]acetic acid
CID 167771577
3-chloro-4-[(3-chloro-2-fluorophenyl)methyl]thiolane
CID 102858343
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine?
The IUPAC name of (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine (CID 155128144) is (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine?
The canonical SMILES for (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine is Fc1c(Cl)cccc1C[C@H]1CCON1.
What is the InChIKey of (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine?
The InChIKey is KBFJOVVFUXICIN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-9-3-1-2-7(10(9)12)6-8-4-5-14-13-8/h1-3,8,13H,4-6H2/t8-/m1/s1.
What are the key properties of (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine?
(3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine has a molecular weight of 215.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine is sourced from PubChem (CID 155128144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).