1-fluoro-1-(3-methoxypropyl)cyclohexane

C10H19FO — CID 57114969

IUPAC1-fluoro-1-(3-methoxypropyl)cyclohexane
SMILESCOCCCC1(F)CCCCC1
InChIInChI=1S/C10H19FO/c1-12-9-5-8-10(11)6-3-2-4-7-10/h2-9H2,1H3
InChIKeyDGPBICKSLIQEQK-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.09
Rot. Bonds4

About 1-fluoro-1-(3-methoxypropyl)cyclohexane

1-fluoro-1-(3-methoxypropyl)cyclohexane (PubChem CID 57114969) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-fluoro-1-(3-methoxypropyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-1-(3-methoxypropyl)cyclohexane
PubChem CID57114969
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name1-fluoro-1-(3-methoxypropyl)cyclohexane
SMILESCOCCCC1(F)CCCCC1
InChIInChI=1S/C10H19FO/c1-12-9-5-8-10(11)6-3-2-4-7-10/h2-9H2,1H3
InChIKeyDGPBICKSLIQEQK-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cyclohexane, (4-methoxybutyl)-
CID 93934
Cyclohexane, (1-methoxyethyl)-
CID 106834
Methoxymethylcyclohexane
CID 6432218
(2-Methoxyethyl)cyclohexane
CID 557611
5-Methoxypentylcyclohexane
CID 54110901
(2-(Pentyloxy)ethyl)cyclohexane
CID 41212
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
1-(2-Fluoroethyl)-4-methoxycyclohexane
CID 18343975
1-(2-Fluoroethyl)-4-(methoxymethyl)cyclohexane
CID 18343976
1,1,2,3,3-Pentafluoro-2-(2-methoxyethyl)cyclohexane
CID 18684088
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
[Ethoxy(difluoro)methyl]cyclohexane
CID 18725579

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(3-methoxypropyl)cyclohexane?
The IUPAC name of 1-fluoro-1-(3-methoxypropyl)cyclohexane (CID 57114969) is 1-fluoro-1-(3-methoxypropyl)cyclohexane.
What is the SMILES notation for 1-fluoro-1-(3-methoxypropyl)cyclohexane?
The canonical SMILES for 1-fluoro-1-(3-methoxypropyl)cyclohexane is COCCCC1(F)CCCCC1.
What is the InChIKey of 1-fluoro-1-(3-methoxypropyl)cyclohexane?
The InChIKey is DGPBICKSLIQEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-12-9-5-8-10(11)6-3-2-4-7-10/h2-9H2,1H3.
What are the key properties of 1-fluoro-1-(3-methoxypropyl)cyclohexane?
1-fluoro-1-(3-methoxypropyl)cyclohexane has a molecular weight of 174.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(3-methoxypropyl)cyclohexane is sourced from PubChem (CID 57114969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).