N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine

C10H22FNS — CID 142121420

IUPACN-(fluoromethyl)-N-pentylsulfanylbutan-1-amine
SMILESCCCCCSN(CF)CCCC
InChIInChI=1S/C10H22FNS/c1-3-5-7-9-13-12(10-11)8-6-4-2/h3-10H2,1-2H3
InChIKeyQXFHSPSFNSJDMR-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.85
Rot. Bonds9

About N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine

N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine (PubChem CID 142121420) has the molecular formula C10H22FNS and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-N-pentylsulfanylbutan-1-amine
PubChem CID142121420
Molecular FormulaC10H22FNS
Molecular Weight207.36 g/mol
Exact Mass207.15
IUPAC NameN-(fluoromethyl)-N-pentylsulfanylbutan-1-amine
SMILESCCCCCSN(CF)CCCC
InChIInChI=1S/C10H22FNS/c1-3-5-7-9-13-12(10-11)8-6-4-2/h3-10H2,1-2H3
InChIKeyQXFHSPSFNSJDMR-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-Dibutylhexanesulfenamide
CID 3028574
N-propyl-N-(4,4,4-trifluorobutylsulfanyl)butan-1-amine
CID 141939406
3-Fluoro-1-propan-2-ylsulfanylpiperidine
CID 142366609
N,N-Dibutylpropanesulfenamide
CID 3030904
N-butyl-N-butylsulfanylbutan-1-amine
CID 22117134
N-butyl-N-ethylsulfanylbutan-1-amine
CID 57284672
N-butylsulfanyl-N-methylpentan-1-amine
CID 132149859
N-ethyl-N-propylsulfanylpentan-1-amine
CID 142152736
N-ethylsulfanyl-N-methylbutan-1-amine
CID 142224348
N-methyl-N-propan-2-ylsulfanylbutan-1-amine
CID 144066460
N-ethylsulfanyl-N-methylpentan-1-amine
CID 167204159
N-pentylsulfanyl-N-propylbutan-1-amine
CID 142120491

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine?
The IUPAC name of N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine (CID 142121420) is N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine.
What is the SMILES notation for N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine?
The canonical SMILES for N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine is CCCCCSN(CF)CCCC.
What is the InChIKey of N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine?
The InChIKey is QXFHSPSFNSJDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNS/c1-3-5-7-9-13-12(10-11)8-6-4-2/h3-10H2,1-2H3.
What are the key properties of N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine?
N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-pentylsulfanylbutan-1-amine is sourced from PubChem (CID 142121420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).