4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene

C14H20F2 — CID 164875914

IUPAC4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene
SMILESCC(C)C12C=C(CCC1)CCC(=C(F)F)C2
InChIInChI=1S/C14H20F2/c1-10(2)14-7-3-4-11(8-14)5-6-12(9-14)13(15)16/h8,10H,3-7,9H2,1-2H3
InChIKeyYDIWNSHXMDOQOM-UHFFFAOYSA-N
MW226.31 g/mol
LogP5.07
Rot. Bonds1

About 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene

4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene (PubChem CID 164875914) has the molecular formula C14H20F2 and a molecular weight of 226.31 g/mol. Its IUPAC name is 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene.

Molecular Properties

Compound Name4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene
PubChem CID164875914
Molecular FormulaC14H20F2
Molecular Weight226.31 g/mol
Exact Mass226.15
IUPAC Name4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene
SMILESCC(C)C12C=C(CCC1)CCC(=C(F)F)C2
InChIInChI=1S/C14H20F2/c1-10(2)14-7-3-4-11(8-14)5-6-12(9-14)13(15)16/h8,10H,3-7,9H2,1-2H3
InChIKeyYDIWNSHXMDOQOM-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.31
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

difluoromethylidenecyclobutane
CID 12859514
3-methylbicyclo[3.3.1]non-4-ene-1,3-diol
CID 123281164
2-(3-methyl-1-bicyclo[3.3.1]non-4-enyl)acetonitrile
CID 138718635
4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol;1-methyl-4-propan-2-ylidenecyclohexene
CID 159303121
(8S)-8-(1,1-dideuterio-2-methylpropyl)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776385
4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
CID 101417780
(2S)-2-amino-2-(3-hydroxy-3-methyl-1-bicyclo[3.3.1]non-4-enyl)acetic acid
CID 154471118
ethane;8-fluoro-4-methyl-4-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 176568525
4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
CID 176715947
N,2-di(propan-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 22983759
(4Z)-1,5-dimethylcyclooct-4-en-1-ol
CID 14267333
5-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 67420947

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene?
The IUPAC name of 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene (CID 164875914) is 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene.
What is the SMILES notation for 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene?
The canonical SMILES for 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene is CC(C)C12C=C(CCC1)CCC(=C(F)F)C2.
What is the InChIKey of 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene?
The InChIKey is YDIWNSHXMDOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2/c1-10(2)14-7-3-4-11(8-14)5-6-12(9-14)13(15)16/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene?
4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene has a molecular weight of 226.31 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene is sourced from PubChem (CID 164875914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).