4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol

C16H22F2O — CID 166669777

IUPAC4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol
SMILESC=C(c1cccc(C(C)C(F)F)c1)C(CC)CCO
InChIInChI=1S/C16H22F2O/c1-4-13(8-9-19)11(2)14-6-5-7-15(10-14)12(3)16(17)18/h5-7,10,12-13,16,19H,2,4,8-9H2,1,3H3
InChIKeySARCWOQXLOKIEA-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.48
Rot. Bonds7

About 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol

4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol (PubChem CID 166669777) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol.

Molecular Properties

Compound Name4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol
PubChem CID166669777
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol
SMILESC=C(c1cccc(C(C)C(F)F)c1)C(CC)CCO
InChIInChI=1S/C16H22F2O/c1-4-13(8-9-19)11(2)14-6-5-7-15(10-14)12(3)16(17)18/h5-7,10,12-13,16,19H,2,4,8-9H2,1,3H3
InChIKeySARCWOQXLOKIEA-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol?
The IUPAC name of 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol (CID 166669777) is 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol.
What is the SMILES notation for 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol?
The canonical SMILES for 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol is C=C(c1cccc(C(C)C(F)F)c1)C(CC)CCO.
What is the InChIKey of 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol?
The InChIKey is SARCWOQXLOKIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-4-13(8-9-19)11(2)14-6-5-7-15(10-14)12(3)16(17)18/h5-7,10,12-13,16,19H,2,4,8-9H2,1,3H3.
What are the key properties of 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol?
4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol has a molecular weight of 268.35 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-difluoropropan-2-yl)phenyl]-3-ethylpent-4-en-1-ol is sourced from PubChem (CID 166669777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).