2-fluoro-3-(3-methylhexan-3-yl)furan

C11H17FO — CID 146378632

IUPAC2-fluoro-3-(3-methylhexan-3-yl)furan
SMILESCCCC(C)(CC)c1ccoc1F
InChIInChI=1S/C11H17FO/c1-4-7-11(3,5-2)9-6-8-13-10(9)12/h6,8H,4-5,7H2,1-3H3
InChIKeyVEOXRIFZPSPKBP-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.89
Rot. Bonds4

About 2-fluoro-3-(3-methylhexan-3-yl)furan

2-fluoro-3-(3-methylhexan-3-yl)furan (PubChem CID 146378632) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 2-fluoro-3-(3-methylhexan-3-yl)furan.

Molecular Properties

Compound Name2-fluoro-3-(3-methylhexan-3-yl)furan
PubChem CID146378632
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name2-fluoro-3-(3-methylhexan-3-yl)furan
SMILESCCCC(C)(CC)c1ccoc1F
InChIInChI=1S/C11H17FO/c1-4-7-11(3,5-2)9-6-8-13-10(9)12/h6,8H,4-5,7H2,1-3H3
InChIKeyVEOXRIFZPSPKBP-UHFFFAOYSA-N
XLogP3.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan
CID 146378681
5-(3-methylhexan-3-yl)-4H-furo[3,2-b]pyrrole
CID 175615007
2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene
CID 146376962
1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene
CID 143192711
1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene
CID 134457118
3-methoxy-4-(3-methylhexan-3-yl)pyridine
CID 154951744
3-chloro-2-methyl-4-(3-methylhexan-3-yl)thiophene
CID 146378598
7-(2-methylpentan-2-yl)-1-benzofuran
CID 130310594
2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene
CID 126703972
5-methyl-2-(3-methylhexan-3-yl)pyridine
CID 170075857
3-methyl-3-[4-(3-methylhexan-3-yl)phenyl]pentan-2-one
CID 156899114

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(3-methylhexan-3-yl)furan?
The IUPAC name of 2-fluoro-3-(3-methylhexan-3-yl)furan (CID 146378632) is 2-fluoro-3-(3-methylhexan-3-yl)furan.
What is the SMILES notation for 2-fluoro-3-(3-methylhexan-3-yl)furan?
The canonical SMILES for 2-fluoro-3-(3-methylhexan-3-yl)furan is CCCC(C)(CC)c1ccoc1F.
What is the InChIKey of 2-fluoro-3-(3-methylhexan-3-yl)furan?
The InChIKey is VEOXRIFZPSPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-4-7-11(3,5-2)9-6-8-13-10(9)12/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-fluoro-3-(3-methylhexan-3-yl)furan?
2-fluoro-3-(3-methylhexan-3-yl)furan has a molecular weight of 184.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-methylhexan-3-yl)furan is sourced from PubChem (CID 146378632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).