2-fluoro-4-methyl-1-propan-2-yloxycyclohexane

C10H19FO — CID 129120859

IUPAC2-fluoro-4-methyl-1-propan-2-yloxycyclohexane
SMILESCC1CCC(OC(C)C)C(F)C1
InChIInChI=1S/C10H19FO/c1-7(2)12-10-5-4-8(3)6-9(10)11/h7-10H,4-6H2,1-3H3
InChIKeyLRCZSEYHUXPZFM-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.94
Rot. Bonds2

About 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane

2-fluoro-4-methyl-1-propan-2-yloxycyclohexane (PubChem CID 129120859) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-propan-2-yloxycyclohexane
PubChem CID129120859
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name2-fluoro-4-methyl-1-propan-2-yloxycyclohexane
SMILESCC1CCC(OC(C)C)C(F)C1
InChIInChI=1S/C10H19FO/c1-7(2)12-10-5-4-8(3)6-9(10)11/h7-10H,4-6H2,1-3H3
InChIKeyLRCZSEYHUXPZFM-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048
[(1R,3S)-3-methylcyclopentyl]methanediol
CID 163440646
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
1-(3-methylcyclopentyl)ethanol
CID 12501270
1-(2,4-dimethylcyclohexyl)oxyethyl acetate
CID 143197440
4-propan-2-yloxycyclohexane-1,3-diamine
CID 139764955
[[azanidyl(methyl)amino]-[1-(3-methylcyclopentyl)ethyl]amino]azanide
CID 163709035
cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
CID 171466895

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane?
The IUPAC name of 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane (CID 129120859) is 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane.
What is the SMILES notation for 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane?
The canonical SMILES for 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane is CC1CCC(OC(C)C)C(F)C1.
What is the InChIKey of 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane?
The InChIKey is LRCZSEYHUXPZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-7(2)12-10-5-4-8(3)6-9(10)11/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane?
2-fluoro-4-methyl-1-propan-2-yloxycyclohexane has a molecular weight of 174.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-propan-2-yloxycyclohexane is sourced from PubChem (CID 129120859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).