3-fluoropentyl adamantane-1-carboxylate

C16H25FO2 — CID 131973007

IUPAC3-fluoropentyl adamantane-1-carboxylate
SMILESCCC(F)CCOC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25FO2/c1-2-14(17)3-4-19-15(18)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,2-10H2,1H3
InChIKeyUFMBCTXCVFWXSN-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.88
Rot. Bonds5

About 3-fluoropentyl adamantane-1-carboxylate

3-fluoropentyl adamantane-1-carboxylate (PubChem CID 131973007) has the molecular formula C16H25FO2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 3-fluoropentyl adamantane-1-carboxylate.

Molecular Properties

Compound Name3-fluoropentyl adamantane-1-carboxylate
PubChem CID131973007
Molecular FormulaC16H25FO2
Molecular Weight268.37 g/mol
Exact Mass268.18
IUPAC Name3-fluoropentyl adamantane-1-carboxylate
SMILESCCC(F)CCOC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25FO2/c1-2-14(17)3-4-19-15(18)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,2-10H2,1H3
InChIKeyUFMBCTXCVFWXSN-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(adamantane-1-carbonyloxy)-2-fluorobutane-1-sulfonic acid
CID 88856240
tridecyl adamantane-1-carboxylate
CID 585445
2-(1-formyloxyethoxy)ethyl adamantane-1-carboxylate
CID 21083076
3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate
CID 58122770
4-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,2-trifluorobutane-1-sulfonic acid
CID 122692800
4-(adamantane-1-carbonyloxy)-2,2-difluorobutanoic acid
CID 170225372
2-(2-bromo-2,2-difluoroacetyl)oxyethyl adamantane-1-carboxylate
CID 164579755
2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 98097063
2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 2836046
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 18201052
5-bromopentyl adamantane-1-carboxylate
CID 102110457
2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate
CID 89280247

Frequently Asked Questions

What is the IUPAC name of 3-fluoropentyl adamantane-1-carboxylate?
The IUPAC name of 3-fluoropentyl adamantane-1-carboxylate (CID 131973007) is 3-fluoropentyl adamantane-1-carboxylate.
What is the SMILES notation for 3-fluoropentyl adamantane-1-carboxylate?
The canonical SMILES for 3-fluoropentyl adamantane-1-carboxylate is CCC(F)CCOC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-fluoropentyl adamantane-1-carboxylate?
The InChIKey is UFMBCTXCVFWXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO2/c1-2-14(17)3-4-19-15(18)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,2-10H2,1H3.
What are the key properties of 3-fluoropentyl adamantane-1-carboxylate?
3-fluoropentyl adamantane-1-carboxylate has a molecular weight of 268.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropentyl adamantane-1-carboxylate is sourced from PubChem (CID 131973007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).