6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine

C9H18F3NO — CID 66275314

IUPAC6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
SMILESCC(OCCCCCCN)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(9(10,11)12)14-7-5-3-2-4-6-13/h8H,2-7,13H2,1H3
InChIKeyBKQPTBICESGJDN-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.47
Rot. Bonds7

About 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine

6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine (PubChem CID 66275314) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine.

Molecular Properties

Compound Name6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
PubChem CID66275314
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
SMILESCC(OCCCCCCN)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(9(10,11)12)14-7-5-3-2-4-6-13/h8H,2-7,13H2,1H3
InChIKeyBKQPTBICESGJDN-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5-Octafluoro-6-pentoxyhexan-1-amine
CID 121403368
3,3-Difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 135174643
3-(Trifluoromethoxy)hexan-1-amine
CID 169945668
6-(Trifluoromethoxy)hexan-1-amine
CID 172214206
3,3,3-Trifluoro-2-heptoxypropan-1-amine
CID 43752955
3,3,3-Trifluoro-2-hexoxypropan-1-amine
CID 43752962
3,3,3-Trifluoro-2-pentoxypropan-1-amine
CID 43752988
3-Cyclohexyloxy-4,4,4-trifluorobutan-1-amine
CID 43753251
4,4,4-Trifluoro-3-octan-2-yloxybutan-1-amine
CID 43753328
4,4,4-Trifluoro-3-heptoxybutan-1-amine
CID 43753329
4,4,4-Trifluoro-3-hexoxybutan-1-amine
CID 43753336
4,4,4-Trifluoro-3-octoxybutan-1-amine
CID 43753337

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine (CID 66275314) is 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine.
What is the SMILES notation for 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The canonical SMILES for 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine is CC(OCCCCCCN)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The InChIKey is BKQPTBICESGJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(9(10,11)12)14-7-5-3-2-4-6-13/h8H,2-7,13H2,1H3.
What are the key properties of 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine is sourced from PubChem (CID 66275314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).