1-fluoro-1-(propan-2-yloxymethyl)cyclohexane

C10H19FO — CID 19850338

IUPAC1-fluoro-1-(propan-2-yloxymethyl)cyclohexane
SMILESCC(C)OCC1(F)CCCCC1
InChIInChI=1S/C10H19FO/c1-9(2)12-8-10(11)6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyNHWPUHBXUNESFS-UHFFFAOYSA-N
MW174.26 g/mol
LogP3.08
Rot. Bonds3

About 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane

1-fluoro-1-(propan-2-yloxymethyl)cyclohexane (PubChem CID 19850338) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-1-(propan-2-yloxymethyl)cyclohexane
PubChem CID19850338
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name1-fluoro-1-(propan-2-yloxymethyl)cyclohexane
SMILESCC(C)OCC1(F)CCCCC1
InChIInChI=1S/C10H19FO/c1-9(2)12-8-10(11)6-4-3-5-7-10/h9H,3-8H2,1-2H3
InChIKeyNHWPUHBXUNESFS-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-2-methylcyclohexane
CID 12546406
Cyclohexane, (1-methoxyethyl)-
CID 106834
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
Cyclohexane, [(1,1-dimethylethoxy)methyl]-
CID 10877561
cis1Methoxy 2methyl cyclohexane
CID 11137184
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
2-Cyclohexyl-4-fluorooxolane
CID 12038085
2-Methyl-3-propyltetrahydropyran
CID 57486098
Cyclohexyl-ather
CID 59678177
2-Methylcyclohexyl butyl ether
CID 77401032
1-(2-Fluoroethyl)-4-methoxycyclohexane
CID 18343975
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane?
The IUPAC name of 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane (CID 19850338) is 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane is CC(C)OCC1(F)CCCCC1.
What is the InChIKey of 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane?
The InChIKey is NHWPUHBXUNESFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-9(2)12-8-10(11)6-4-3-5-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane?
1-fluoro-1-(propan-2-yloxymethyl)cyclohexane has a molecular weight of 174.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(propan-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 19850338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).