1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

C16H23F4N — CID 79644553

IUPAC1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)C)cc1)C(F)(F)C(F)F
InChIInChI=1S/C16H23F4N/c1-5-10-21-13(16(19,20)14(17)18)11-6-8-12(9-7-11)15(2,3)4/h6-9,13-14,21H,5,10H2,1-4H3
InChIKeyOFHQYSVYSKCBNA-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.93
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (PubChem CID 79644553) has the molecular formula C16H23F4N and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
PubChem CID79644553
Molecular FormulaC16H23F4N
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)C)cc1)C(F)(F)C(F)F
InChIInChI=1S/C16H23F4N/c1-5-10-21-13(16(19,20)14(17)18)11-6-8-12(9-7-11)15(2,3)4/h6-9,13-14,21H,5,10H2,1-4H3
InChIKeyOFHQYSVYSKCBNA-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 79644292
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(4,5-dimethylfuran-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 114249160
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (CID 79644553) is 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is CCCNC(c1ccc(C(C)(C)C)cc1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The InChIKey is OFHQYSVYSKCBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N/c1-5-10-21-13(16(19,20)14(17)18)11-6-8-12(9-7-11)15(2,3)4/h6-9,13-14,21H,5,10H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine has a molecular weight of 305.36 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 79644553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).