cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate

C17H15FO3 — CID 102131963

IUPACcis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(F)C[C@H]1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H15FO3/c1-2-21-16(20)17(18)10-14(17)15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3/t14-,17-/m0/s1
InChIKeyDAAXFNTXHCWXKJ-YOEHRIQHSA-N
MW286.30 g/mol
LogP3.31
Rot. Bonds4

About cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate

cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate (PubChem CID 102131963) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate
PubChem CID102131963
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Namecis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(F)C[C@H]1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H15FO3/c1-2-21-16(20)17(18)10-14(17)15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3/t14-,17-/m0/s1
InChIKeyDAAXFNTXHCWXKJ-YOEHRIQHSA-N
XLogP3.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1S,2S)-2-(4-bromobenzoyl)-1-fluorocyclopropane-1-carboxylate
CID 102131959
ethyl 2-methylidene-1-(naphthalene-1-carbonyl)cyclopentane-1-carboxylate
CID 135055696
ethyl 1-fluorocyclopent-3-ene-1-carboxylate
CID 45090301
ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
CID 175236588
cis-ethyl (1R,2R)-2-naphthalen-1-yl-1-[(E)-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 122368356
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 2-naphthalen-1-ylprop-2-enoate;2-naphthalen-1-ylprop-2-enoic acid
CID 162045658
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
CID 11690046
ethyl 2-(naphthalen-1-ylcarbamoyl)oxirane-2-carboxylate
CID 54519330

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate (CID 102131963) is cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate is CCOC(=O)[C@]1(F)C[C@H]1C(=O)c1cccc2ccccc12.
What is the InChIKey of cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is DAAXFNTXHCWXKJ-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H15FO3/c1-2-21-16(20)17(18)10-14(17)15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,2,10H2,1H3/t14-,17-/m0/s1.
What are the key properties of cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate?
cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 286.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2S)-1-fluoro-2-(naphthalene-1-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102131963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).