N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide

C10H18F3NO2 — CID 89214849

IUPACN-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide
SMILESCCC(CC[C@@H](COC)C(F)(F)F)NC=O
InChIInChI=1S/C10H18F3NO2/c1-3-9(14-7-15)5-4-8(6-16-2)10(11,12)13/h7-9H,3-6H2,1-2H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyALNUNKYCZQAYTL-IENPIDJESA-N
MW241.25 g/mol
LogP2.12
Rot. Bonds8

About N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide

N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide (PubChem CID 89214849) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide.

Molecular Properties

Compound NameN-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide
PubChem CID89214849
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide
SMILESCCC(CC[C@@H](COC)C(F)(F)F)NC=O
InChIInChI=1S/C10H18F3NO2/c1-3-9(14-7-15)5-4-8(6-16-2)10(11,12)13/h7-9H,3-6H2,1-2H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyALNUNKYCZQAYTL-IENPIDJESA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide?
The IUPAC name of N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide (CID 89214849) is N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide.
What is the SMILES notation for N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide?
The canonical SMILES for N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide is CCC(CC[C@@H](COC)C(F)(F)F)NC=O.
What is the InChIKey of N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide?
The InChIKey is ALNUNKYCZQAYTL-IENPIDJESA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-9(14-7-15)5-4-8(6-16-2)10(11,12)13/h7-9H,3-6H2,1-2H3,(H,14,15)/t8-,9?/m0/s1.
What are the key properties of N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide?
N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide has a molecular weight of 241.25 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-7,7,7-trifluoro-6-(methoxymethyl)heptan-3-yl]formamide is sourced from PubChem (CID 89214849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).