4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol

C15H21ClFNO — CID 114852276

IUPAC4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-8-3-6-15(19,7-9-18)11-12-4-5-13(16)10-14(12)17/h4-5,10,19H,2-3,6-9,11H2,1H3
InChIKeyGASYESMWECCHPL-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.26
Rot. Bonds3

About 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol

4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol (PubChem CID 114852276) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
PubChem CID114852276
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-8-3-6-15(19,7-9-18)11-12-4-5-13(16)10-14(12)17/h4-5,10,19H,2-3,6-9,11H2,1H3
InChIKeyGASYESMWECCHPL-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107408211
4-[(5-chlorothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153829
4-[(2-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077702
4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 65147067
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
4-[(4-chloro-3-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 107883599
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol (CID 114852276) is 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol is CCN1CCCC(O)(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol?
The InChIKey is GASYESMWECCHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-18-8-3-6-15(19,7-9-18)11-12-4-5-13(16)10-14(12)17/h4-5,10,19H,2-3,6-9,11H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol?
4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol has a molecular weight of 285.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol is sourced from PubChem (CID 114852276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).