1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane

C9H18FOP — CID 66729831

IUPAC1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane
SMILESCCP(C)(=O)C1CCCC(F)C1
InChIInChI=1S/C9H18FOP/c1-3-12(2,11)9-6-4-5-8(10)7-9/h8-9H,3-7H2,1-2H3
InChIKeyQLFQBZBERKRJCX-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.28
Rot. Bonds2

About 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane

1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane (PubChem CID 66729831) has the molecular formula C9H18FOP and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane.

Molecular Properties

Compound Name1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane
PubChem CID66729831
Molecular FormulaC9H18FOP
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane
SMILESCCP(C)(=O)C1CCCC(F)C1
InChIInChI=1S/C9H18FOP/c1-3-12(2,11)9-6-4-5-8(10)7-9/h8-9H,3-7H2,1-2H3
InChIKeyQLFQBZBERKRJCX-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-fluorocyclohexyl)phosphonic acid
CID 67504081
(3-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175015498
1-ethylsulfonyl-3-fluorocyclohexane
CID 66796442
[ethyl(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66729730
[ethyl(methoxy)phosphoryl]cyclohexane
CID 66729718
cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
CID 129348776
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701
1-(3-fluorocyclohexyl)-N-methylpropan-2-amine
CID 84732027
dicyclopentylphosphorylcyclohexane
CID 177406372
1,2-difluorocyclopentane;propane
CID 171503216

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane?
The IUPAC name of 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane (CID 66729831) is 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane.
What is the SMILES notation for 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane?
The canonical SMILES for 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane is CCP(C)(=O)C1CCCC(F)C1.
What is the InChIKey of 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane?
The InChIKey is QLFQBZBERKRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FOP/c1-3-12(2,11)9-6-4-5-8(10)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane?
1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane has a molecular weight of 192.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane is sourced from PubChem (CID 66729831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).