1-[(Z)-1,2-difluoroethenyl]adamantane

C12H16F2 — CID 12634321

IUPAC1-[(Z)-1,2-difluoroethenyl]adamantane
SMILESF/C=C(\F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H16F2/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2/b11-7-
InChIKeyYTDBNLRKLLXJJQ-XFFZJAGNSA-N
MW198.26 g/mol
LogP3.98
Rot. Bonds1

About 1-[(Z)-1,2-difluoroethenyl]adamantane

1-[(Z)-1,2-difluoroethenyl]adamantane (PubChem CID 12634321) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluoroethenyl]adamantane.

Molecular Properties

Compound Name1-[(Z)-1,2-difluoroethenyl]adamantane
PubChem CID12634321
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name1-[(Z)-1,2-difluoroethenyl]adamantane
SMILESF/C=C(\F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H16F2/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2/b11-7-
InChIKeyYTDBNLRKLLXJJQ-XFFZJAGNSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Vinyladamantane
CID 570934
1-Ethyl-3-vinyl-adamantane
CID 595127
1-Isopropenyladamantane
CID 2776059
1-Allyladamantane
CID 10954060
5-Fluoro-2-methyleneadamantane
CID 15306993
2-(Difluoromethylidene)adamantane
CID 134850220
2-Ethenylideneadamantane
CID 12263203
1-(But-1-en-2-yl)adamantane
CID 13086467
1-(2-Methyl-2-propen-1-yl)tricyclo(3.3.1.13,7)decane
CID 13328274
1,3-Divinyladamantane
CID 13547479
1-But-3-enyladamantane
CID 134862497
3-Fluoro-1-fluoromethyl-adamantane
CID 6424240

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluoroethenyl]adamantane?
The IUPAC name of 1-[(Z)-1,2-difluoroethenyl]adamantane (CID 12634321) is 1-[(Z)-1,2-difluoroethenyl]adamantane.
What is the SMILES notation for 1-[(Z)-1,2-difluoroethenyl]adamantane?
The canonical SMILES for 1-[(Z)-1,2-difluoroethenyl]adamantane is F/C=C(\F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(Z)-1,2-difluoroethenyl]adamantane?
The InChIKey is YTDBNLRKLLXJJQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H16F2/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2/b11-7-.
What are the key properties of 1-[(Z)-1,2-difluoroethenyl]adamantane?
1-[(Z)-1,2-difluoroethenyl]adamantane has a molecular weight of 198.26 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluoroethenyl]adamantane is sourced from PubChem (CID 12634321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).