1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane

C16H30F2 — CID 123285956

IUPAC1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane
SMILESCCCCC(C(F)F)C(C)C1CC(C(C)C)C1C
InChIInChI=1S/C16H30F2/c1-6-7-8-13(16(17)18)11(4)15-9-14(10(2)3)12(15)5/h10-16H,6-9H2,1-5H3
InChIKeyFINOCQRTDQQZNH-UHFFFAOYSA-N
MW260.41 g/mol
LogP5.62
Rot. Bonds7

About 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane

1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane (PubChem CID 123285956) has the molecular formula C16H30F2 and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane
PubChem CID123285956
Molecular FormulaC16H30F2
Molecular Weight260.41 g/mol
Exact Mass260.23
IUPAC Name1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane
SMILESCCCCC(C(F)F)C(C)C1CC(C(C)C)C1C
InChIInChI=1S/C16H30F2/c1-6-7-8-13(16(17)18)11(4)15-9-14(10(2)3)12(15)5/h10-16H,6-9H2,1-5H3
InChIKeyFINOCQRTDQQZNH-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.41
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
CID 123619623
(2S,3R)-2-fluoro-3-methylheptanal
CID 130628488
2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
CID 174606217
1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
CID 90869417
5-fluoro-6-methyldecane
CID 123598559
(2S,3S)-1,1-difluoro-3-propan-2-ylheptan-2-ol
CID 122598663
4-fluoro-3-methyloctane
CID 89416555
2-methyl-1-(3-methylbutan-2-yl)-3-propylcyclobutane
CID 90789803
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-(2,3-dimethylheptyl)-2-ethylcyclopropane
CID 123157589

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane?
The IUPAC name of 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane (CID 123285956) is 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane?
The canonical SMILES for 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane is CCCCC(C(F)F)C(C)C1CC(C(C)C)C1C.
What is the InChIKey of 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane?
The InChIKey is FINOCQRTDQQZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2/c1-6-7-8-13(16(17)18)11(4)15-9-14(10(2)3)12(15)5/h10-16H,6-9H2,1-5H3.
What are the key properties of 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane?
1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane has a molecular weight of 260.41 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)heptan-2-yl]-2-methyl-3-propan-2-ylcyclobutane is sourced from PubChem (CID 123285956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).