2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane

C17H31F — CID 155111483

IUPAC2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane
SMILESCC1CC(CC(F)CC2CC(C(C)C)C2(C)C)C1
InChIInChI=1S/C17H31F/c1-11(2)16-10-14(17(16,4)5)9-15(18)8-13-6-12(3)7-13/h11-16H,6-10H2,1-5H3
InChIKeyUFAAMVJNVCTUQM-UHFFFAOYSA-N
MW254.43 g/mol
LogP5.47
Rot. Bonds5

About 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane

2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane (PubChem CID 155111483) has the molecular formula C17H31F and a molecular weight of 254.43 g/mol. Its IUPAC name is 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane.

Molecular Properties

Compound Name2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane
PubChem CID155111483
Molecular FormulaC17H31F
Molecular Weight254.43 g/mol
Exact Mass254.24
IUPAC Name2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane
SMILESCC1CC(CC(F)CC2CC(C(C)C)C2(C)C)C1
InChIInChI=1S/C17H31F/c1-11(2)16-10-14(17(16,4)5)9-15(18)8-13-6-12(3)7-13/h11-16H,6-10H2,1-5H3
InChIKeyUFAAMVJNVCTUQM-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane?
The IUPAC name of 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane (CID 155111483) is 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane.
What is the SMILES notation for 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane?
The canonical SMILES for 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane is CC1CC(CC(F)CC2CC(C(C)C)C2(C)C)C1.
What is the InChIKey of 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane?
The InChIKey is UFAAMVJNVCTUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F/c1-11(2)16-10-14(17(16,4)5)9-15(18)8-13-6-12(3)7-13/h11-16H,6-10H2,1-5H3.
What are the key properties of 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane?
2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane has a molecular weight of 254.43 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(3-methylcyclobutyl)propyl]-1,1-dimethyl-4-propan-2-ylcyclobutane is sourced from PubChem (CID 155111483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).