CID 170183779

C6H9F3NS- — CID 170183779

IUPAC—
SMILESC#[S-]([C@@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C6H9F3NS/c1-11(6(7,8)9)5-2-3-10-4-5/h1,5,10H,2-4H2/q-1/t5-/m1/s1
InChIKeyFWKRYALWSJZCCH-RXMQYKEDSA-N
MW184.21 g/mol
LogP1.08
Rot. Bonds

About CID 170183779

CID 170183779 (PubChem CID 170183779) has the molecular formula C6H9F3NS- and a molecular weight of 184.21 g/mol.

Molecular Properties

Compound NameCID 170183779
PubChem CID170183779
Molecular FormulaC6H9F3NS-
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name—
SMILESC#[S-]([C@@H]1CCNC1)C(F)(F)F
InChIInChI=1S/C6H9F3NS/c1-11(6(7,8)9)5-2-3-10-4-5/h1,5,10H,2-4H2/q-1/t5-/m1/s1
InChIKeyFWKRYALWSJZCCH-RXMQYKEDSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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(3S)-3-fluoropyrrolidine;molecular hydrogen
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3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
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4-(trifluoromethyl)piperidin-3-ol
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3-(2-fluorobut-3-yn-2-yl)pyrrolidine
CID 127016517
(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 118661743
(3R)-3-(1,1,2,2,2-pentafluoroethoxy)pyrrolidine
CID 75530325
3-[1-(trifluoromethyl)cyclopropyl]pyrrolidine
CID 83906289
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
4-fluoro-3-(2,2,2-trifluoroethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of CID 170183779?
The IUPAC name of CID 170183779 (CID 170183779) is not available.
What is the SMILES notation for CID 170183779?
The canonical SMILES for CID 170183779 is C#[S-]([C@@H]1CCNC1)C(F)(F)F.
What is the InChIKey of CID 170183779?
The InChIKey is FWKRYALWSJZCCH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9F3NS/c1-11(6(7,8)9)5-2-3-10-4-5/h1,5,10H,2-4H2/q-1/t5-/m1/s1.
What are the key properties of CID 170183779?
CID 170183779 has a molecular weight of 184.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170183779 is sourced from PubChem (CID 170183779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).