3,4-difluoro-2-(2-methylhexan-2-yl)furan

C11H16F2O — CID 146378479

IUPAC3,4-difluoro-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1occ(F)c1F
InChIInChI=1S/C11H16F2O/c1-4-5-6-11(2,3)10-9(13)8(12)7-14-10/h7H,4-6H2,1-3H3
InChIKeyVBVULSCHHCQOSN-UHFFFAOYSA-N
MW202.24 g/mol
LogP4.03
Rot. Bonds4

About 3,4-difluoro-2-(2-methylhexan-2-yl)furan

3,4-difluoro-2-(2-methylhexan-2-yl)furan (PubChem CID 146378479) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name3,4-difluoro-2-(2-methylhexan-2-yl)furan
PubChem CID146378479
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name3,4-difluoro-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1occ(F)c1F
InChIInChI=1S/C11H16F2O/c1-4-5-6-11(2,3)10-9(13)8(12)7-14-10/h7H,4-6H2,1-3H3
InChIKeyVBVULSCHHCQOSN-UHFFFAOYSA-N
XLogP4.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-(2-methylhexan-2-yl)furan
CID 146378699
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
3-fluoro-2-methoxy-5-(2-methylhexan-2-yl)thiophene
CID 146378159
2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan
CID 146378681
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
9-N,9-N,10-N,10-N-tetrakis(2,6-difluorophenyl)-2,6-bis(2-methylhexan-2-yl)anthracene-9,10-diamine
CID 59861538
2-(2-methylhexan-2-yl)-1H-imidazole
CID 68747349
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole
CID 146378187
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-methylhexan-2-yl)furan?
The IUPAC name of 3,4-difluoro-2-(2-methylhexan-2-yl)furan (CID 146378479) is 3,4-difluoro-2-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 3,4-difluoro-2-(2-methylhexan-2-yl)furan?
The canonical SMILES for 3,4-difluoro-2-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1occ(F)c1F.
What is the InChIKey of 3,4-difluoro-2-(2-methylhexan-2-yl)furan?
The InChIKey is VBVULSCHHCQOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-4-5-6-11(2,3)10-9(13)8(12)7-14-10/h7H,4-6H2,1-3H3.
What are the key properties of 3,4-difluoro-2-(2-methylhexan-2-yl)furan?
3,4-difluoro-2-(2-methylhexan-2-yl)furan has a molecular weight of 202.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146378479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).