CID 58545566

C9H14F2NO2 — CID 58545566

IUPAC—
SMILESCC(C)(C)OC(=O)N1[CH]CC(F)(F)C1
InChIInChI=1S/C9H14F2NO2/c1-8(2,3)14-7(13)12-5-4-9(10,11)6-12/h5H,4,6H2,1-3H3
InChIKeyIXAODNAIRVFQQH-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.42
Rot. Bonds

About CID 58545566

CID 58545566 (PubChem CID 58545566) has the molecular formula C9H14F2NO2 and a molecular weight of 206.21 g/mol.

Molecular Properties

Compound NameCID 58545566
PubChem CID58545566
Molecular FormulaC9H14F2NO2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1[CH]CC(F)(F)C1
InChIInChI=1S/C9H14F2NO2/c1-8(2,3)14-7(13)12-5-4-9(10,11)6-12/h5H,4,6H2,1-3H3
InChIKeyIXAODNAIRVFQQH-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 124556147
tert-butyl 3-(difluoromethyl)-3-hydroxyazetidine-1-carboxylate
CID 80605458
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate
CID 175821609
tert-butyl 3,3-dicyano-2H-pyrrole-1-carboxylate
CID 133188407
ditert-butyl 2H-pyridine-1,4-dicarboxylate
CID 150752539
tert-butyl 3-amino-2,3-dihydropyrrole-1-carboxylate
CID 155896869
tert-butyl 3-formyloxy-3-methylazetidine-1-carboxylate
CID 171798737
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991

Frequently Asked Questions

What is the IUPAC name of CID 58545566?
The IUPAC name of CID 58545566 (CID 58545566) is not available.
What is the SMILES notation for CID 58545566?
The canonical SMILES for CID 58545566 is CC(C)(C)OC(=O)N1[CH]CC(F)(F)C1.
What is the InChIKey of CID 58545566?
The InChIKey is IXAODNAIRVFQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2NO2/c1-8(2,3)14-7(13)12-5-4-9(10,11)6-12/h5H,4,6H2,1-3H3.
What are the key properties of CID 58545566?
CID 58545566 has a molecular weight of 206.21 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58545566 is sourced from PubChem (CID 58545566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).