2-benzyl-3-(difluoromethylidene)heptan-1-ol

C15H20F2O — CID 101081485

IUPAC2-benzyl-3-(difluoromethylidene)heptan-1-ol
SMILESCCCCC(=C(F)F)C(CO)Cc1ccccc1
InChIInChI=1S/C15H20F2O/c1-2-3-9-14(15(16)17)13(11-18)10-12-7-5-4-6-8-12/h4-8,13,18H,2-3,9-11H2,1H3
InChIKeyQCQKAKQUKQOENZ-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.18
Rot. Bonds7

About 2-benzyl-3-(difluoromethylidene)heptan-1-ol

2-benzyl-3-(difluoromethylidene)heptan-1-ol (PubChem CID 101081485) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-benzyl-3-(difluoromethylidene)heptan-1-ol.

Molecular Properties

Compound Name2-benzyl-3-(difluoromethylidene)heptan-1-ol
PubChem CID101081485
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name2-benzyl-3-(difluoromethylidene)heptan-1-ol
SMILESCCCCC(=C(F)F)C(CO)Cc1ccccc1
InChIInChI=1S/C15H20F2O/c1-2-3-9-14(15(16)17)13(11-18)10-12-7-5-4-6-8-12/h4-8,13,18H,2-3,9-11H2,1H3
InChIKeyQCQKAKQUKQOENZ-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(difluoromethylidene)heptan-1-ol?
The IUPAC name of 2-benzyl-3-(difluoromethylidene)heptan-1-ol (CID 101081485) is 2-benzyl-3-(difluoromethylidene)heptan-1-ol.
What is the SMILES notation for 2-benzyl-3-(difluoromethylidene)heptan-1-ol?
The canonical SMILES for 2-benzyl-3-(difluoromethylidene)heptan-1-ol is CCCCC(=C(F)F)C(CO)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(difluoromethylidene)heptan-1-ol?
The InChIKey is QCQKAKQUKQOENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-2-3-9-14(15(16)17)13(11-18)10-12-7-5-4-6-8-12/h4-8,13,18H,2-3,9-11H2,1H3.
What are the key properties of 2-benzyl-3-(difluoromethylidene)heptan-1-ol?
2-benzyl-3-(difluoromethylidene)heptan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(difluoromethylidene)heptan-1-ol is sourced from PubChem (CID 101081485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).