1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene

C14H18ClFO — CID 82726671

IUPAC1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
SMILESCCC1CCCCC1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFO/c1-2-10-5-3-4-6-14(10)17-11-7-8-12(15)13(16)9-11/h7-10,14H,2-6H2,1H3
InChIKeyNCTYQNPXQRBNKW-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.83
Rot. Bonds3

About 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene

1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene (PubChem CID 82726671) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
PubChem CID82726671
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
SMILESCCC1CCCCC1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFO/c1-2-10-5-3-4-6-14(10)17-11-7-8-12(15)13(16)9-11/h7-10,14H,2-6H2,1H3
InChIKeyNCTYQNPXQRBNKW-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
[3-(2-ethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 63862168
1-(3-chloroprop-1-ynyl)-4-(2-ethylcyclohexyl)oxybenzene
CID 63862741
(3R,4S)-4-(4-chloro-3-fluorophenoxy)-1-methylpyrrolidin-3-ol
CID 86705583
1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
CID 82727193
1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
CID 112613680
5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683560
[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
CID 79887009
N-ethyl-5-(2-ethylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
CID 107683841
N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290861

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene?
The IUPAC name of 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene (CID 82726671) is 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene is CCC1CCCCC1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene?
The InChIKey is NCTYQNPXQRBNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-2-10-5-3-4-6-14(10)17-11-7-8-12(15)13(16)9-11/h7-10,14H,2-6H2,1H3.
What are the key properties of 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene?
1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene has a molecular weight of 256.75 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene is sourced from PubChem (CID 82726671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).