CID 174586878

C11H19F3N2S — CID 174586878

IUPAC—
SMILESCCCCN1C=CC=C(C)C1.FC(F)F.N=S
InChIInChI=1S/C10H17N.CHF3.HNS/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3)4;1-2/h5-6,8H,3-4,7,9H2,1-2H3;1H;1H
InChIKeyUEXKIJKADGLPOR-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.04
Rot. Bonds3

About CID 174586878

CID 174586878 (PubChem CID 174586878) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol.

Molecular Properties

Compound NameCID 174586878
PubChem CID174586878
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name—
SMILESCCCCN1C=CC=C(C)C1.FC(F)F.N=S
InChIInChI=1S/C10H17N.CHF3.HNS/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3)4;1-2/h5-6,8H,3-4,7,9H2,1-2H3;1H;1H
InChIKeyUEXKIJKADGLPOR-UHFFFAOYSA-N
XLogP4.04
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-decyl-3-methyl-2H-pyridine
CID 141124011
1-butyl-3-methyl-2H-pyridine;thiocyanic acid
CID 174709864
1-hexyl-3-methyl-2H-pyridine;trifluoromethanesulfonic acid
CID 174688391
1-ethyl-3-methyl-2H-pyridine;hydrochloride
CID 172849708
3-methyl-1-propyl-2H-pyridine;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 175789295
3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide
CID 174771844
1-butyl-2H-pyridine-3-carboxylic acid;hydrobromide
CID 172823274
N-(1-butyl-2H-pyridin-3-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 156587771
1-butyl-2H-pyridine;hydrochloride
CID 141072734
N'-(1-dodecyl-2H-pyridin-3-yl)oxamide
CID 175429462
1-butyl-2H-pyridine;hydron;tetrafluoroborate
CID 174529026
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230

Frequently Asked Questions

What is the IUPAC name of CID 174586878?
The IUPAC name of CID 174586878 (CID 174586878) is not available.
What is the SMILES notation for CID 174586878?
The canonical SMILES for CID 174586878 is CCCCN1C=CC=C(C)C1.FC(F)F.N=S.
What is the InChIKey of CID 174586878?
The InChIKey is UEXKIJKADGLPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.CHF3.HNS/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3)4;1-2/h5-6,8H,3-4,7,9H2,1-2H3;1H;1H.
What are the key properties of CID 174586878?
CID 174586878 has a molecular weight of 268.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174586878 is sourced from PubChem (CID 174586878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).